4-[(E)-3-cyclohexa-2,5-dien-1-ylidene-3-(ethylamino)prop-1-enyl]-6-oxidanyl-benzene-1,3-disulfonic acid

Systemtic Name: 4-[(E)-3-cyclohexa-2,5-dien-1-ylidene-3-(ethylamino)prop-1-enyl]-6-oxidanyl-benzene-1,3-disulfonic acid Openeye Name: 4-[(E)-3-cyclohexa-2,5-dien-1-ylidene-3-(ethylamino)prop-1-enyl]-6-hydroxy-benzene-1,3-disulfonic acid CAS Name: 4-[(E)-3-(1-cyclohexa-2,5-dienylidene)-3-(ethylamino)prop-1-enyl]-6-hydroxybenzene-1,3-disulfonic acid IUPAC Name: 4-[(E)-3-cyclohexa-2,5-dien-1-ylidene-3-(ethylamino)prop-1-enyl]-6-hydroxybenzene-1,3-disulfonic acid Traditional Name: 4-[(E)-3-cyclohexa-2,5-dien-1-ylidene-3-(ethylamino)prop-1-enyl]-6-hydroxy-benzene-1,3-disulfonic acid Formula: C17H19NO7S2 MolecularWeight: 413.46526

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=C1C=CCC=C1)C=CC2=CC(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

CCNC(=C1C=CCC=C1)/C=C/C2=CC(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C17H19NO7S2/c1-2-18-14(12-6-4-3-5-7-12)9-8-13-10-15(19)17(27(23,24)25)11-16(13)26(20,21)22/h4-11,18-19H,2-3H2,1H3,(H,20,21,22)(H,23,24,25)/b9-8+