KEGG   COMPOUND: C11323Help
Entry
C11323                      Compound                               

Name
Chromotropic acid;
4,5-Dihydroxynaphthalene-2,7-disulfonic acid
Formula
C10H8O8S2
Exact mass
319.9661
Mol weight
320.2957
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 148-25-4
PubChem: 13498
ChEBI: 1751
ChEMBL: CHEMBL144298
NIKKAJI: J5.844K
KCF data Show

ATOM        20
            1   C8y C    26.4560  -16.1570
            2   C8x C    26.4560  -17.5573
            3   C8y C    27.6717  -18.2575
            4   C8x C    27.6717  -15.4568
            5   C8y C    28.8802  -16.1570
            6   C8y C    28.9443  -17.5573
            7   C8y C    30.0840  -18.2627
            8   C8x C    31.2996  -17.5677
            9   C8y C    31.3057  -16.1673
            10  C8x C    30.0960  -15.4621
            11  O1a O    27.6584  -19.6578
            12  O1a O    30.0701  -19.6578
            13  S4a S    32.5100  -15.4568
            14  S4a S    25.2397  -15.4568
            15  O1d O    31.8027  -14.2405
            16  O1d O    33.2031  -16.6662
            17  O1d O    33.7194  -14.7497
            18  O1d O    24.5324  -16.6662
            19  O1d O    25.9327  -14.2405
            20  O1d O    24.0232  -14.7566
BOND        21
            1     9  10 2
            2    10   5 1
            3     3  11 1
            4     1   2 2
            5     7  12 1
            6     2   3 1
            7     9  13 1
            8     3   6 2
            9     1  14 1
            10    5   4 2
            11   13  15 2
            12    4   1 1
            13   13  16 2
            14    5   6 1
            15   13  17 1
            16    6   7 1
            17   14  18 2
            18    7   8 2
            19   14  19 2
            20    8   9 1
            21   14  20 1

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